2-(methylamino)-4-morpholin-4-ylbutanoic acid

C9H18N2O3 — CID 63029138

IUPAC2-(methylamino)-4-morpholin-4-ylbutanoic acid
SMILESCNC(CCN1CCOCC1)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-10-8(9(12)13)2-3-11-4-6-14-7-5-11/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyKJWBBXLOHMLKPS-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.62
Rot. Bonds5

About 2-(methylamino)-4-morpholin-4-ylbutanoic acid

2-(methylamino)-4-morpholin-4-ylbutanoic acid (PubChem CID 63029138) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(methylamino)-4-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-(methylamino)-4-morpholin-4-ylbutanoic acid
PubChem CID63029138
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(methylamino)-4-morpholin-4-ylbutanoic acid
SMILESCNC(CCN1CCOCC1)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-10-8(9(12)13)2-3-11-4-6-14-7-5-11/h8,10H,2-7H2,1H3,(H,12,13)
InChIKeyKJWBBXLOHMLKPS-UHFFFAOYSA-N
XLogP-0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylmorpholin-4-yl)-2-(methylamino)butanoic acid
CID 63028463
4-(1,4-oxazepan-4-yl)-2-(propylamino)butanoic acid
CID 55142794
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
4-methyl-6-morpholin-4-ylhexan-3-one
CID 79416722
2-methyl-4-morpholin-4-ylbutanoate;hydrochloride
CID 23621496
(2S)-2-(methylamino)-6-(4-methylpiperazin-1-yl)hexanoic acid
CID 167175161
methyl (2S)-2-(chloroamino)-4-morpholin-4-ylbutanoate
CID 59414204
4-(1,3-dihydroisoindol-2-yl)-2-(methylamino)butanoic acid
CID 63055046
4-(2-ethyl-7-azaspiro[3.5]nonan-7-yl)-2-(methylamino)butanoic acid
CID 144515785
(2S)-2-(methylamino)-3-[4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 67670933
2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
CID 103973536
(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 107566142

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-morpholin-4-ylbutanoic acid?
The IUPAC name of 2-(methylamino)-4-morpholin-4-ylbutanoic acid (CID 63029138) is 2-(methylamino)-4-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 2-(methylamino)-4-morpholin-4-ylbutanoic acid?
The canonical SMILES for 2-(methylamino)-4-morpholin-4-ylbutanoic acid is CNC(CCN1CCOCC1)C(=O)O.
What is the InChIKey of 2-(methylamino)-4-morpholin-4-ylbutanoic acid?
The InChIKey is KJWBBXLOHMLKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-10-8(9(12)13)2-3-11-4-6-14-7-5-11/h8,10H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(methylamino)-4-morpholin-4-ylbutanoic acid?
2-(methylamino)-4-morpholin-4-ylbutanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 63029138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).